Source code:
@Grab(group='org.openscience.cdk', module='cdk-bundle', version='2.9')
import org.openscience.cdk.silent.*;
import org.openscience.cdk.*;
set = new AtomContainerSet()
anAtomContainer = new AtomContainer()
anotherAtomContainer = new AtomContainer()
set.addAtomContainer(anAtomContainer)
set.addAtomContainer(anotherAtomContainer)
println "Number of containers: " +
set.getAtomContainerCount()
for (atomContainer in set.atomContainers()) {
println "container's hashcode " +
atomContainer.hashCode()
}
Output:
Number of containers: 2
container's hashcode 285831951
container's hashcode 32777062